IRIS
LOMBARDO, Giuseppe Marcello
 Distribuzione geografica
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Continente #
NA - Nord America 2.530
EU - Europa 1.105
AS - Asia 878
SA - Sud America 150
AF - Africa 128
OC - Oceania 6
Continente sconosciuto - Info sul continente non disponibili 1
Totale 4.798
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Nazione #
US - Stati Uniti d'America 2.425
SG - Singapore 486
UA - Ucraina 284
IE - Irlanda 269
CN - Cina 268
IT - Italia 194
BR - Brasile 139
CA - Canada 102
CI - Costa d'Avorio 92
VN - Vietnam 85
DE - Germania 83
RU - Federazione Russa 83
SE - Svezia 62
FI - Finlandia 44
FR - Francia 28
SN - Senegal 26
GB - Regno Unito 16
AT - Austria 8
TR - Turchia 8
CH - Svizzera 7
LB - Libano 7
UZ - Uzbekistan 7
AU - Australia 6
GR - Grecia 6
CZ - Repubblica Ceca 5
EC - Ecuador 5
IN - India 5
NL - Olanda 5
KE - Kenya 3
MX - Messico 3
PL - Polonia 3
AR - Argentina 2
CL - Cile 2
EE - Estonia 2
JP - Giappone 2
KZ - Kazakistan 2
TN - Tunisia 2
ZA - Sudafrica 2
AZ - Azerbaigian 1
BA - Bosnia-Erzegovina 1
BW - Botswana 1
CO - Colombia 1
EG - Egitto 1
ES - Italia 1
EU - Europa 1
GE - Georgia 1
ID - Indonesia 1
JO - Giordania 1
KW - Kuwait 1
MA - Marocco 1
NO - Norvegia 1
NP - Nepal 1
PK - Pakistan 1
PS - Palestinian Territory 1
RO - Romania 1
RS - Serbia 1
SI - Slovenia 1
VE - Venezuela 1
Totale 4.798
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Città #
Santa Clara 532
Chandler 358
Jacksonville 352
Singapore 325
Dublin 269
Chicago 228
Boardman 130
Catania 109
Abidjan 92
Dong Ket 84
Nanjing 81
Toronto 78
Lawrence 76
Andover 75
Cambridge 75
Des Moines 43
Ashburn 42
Helsinki 41
San Mateo 41
Bremen 38
Nanchang 38
Council Bluffs 34
Wilmington 28
Shenyang 27
Dakar 26
Civitanova Marche 24
Grafing 19
Hebei 19
Ottawa 18
Saint Petersburg 14
Changsha 13
Tianjin 12
San Francisco 11
Jinan 10
São Paulo 10
Hangzhou 8
Belo Horizonte 7
Moscow 7
Nuremberg 7
Liberty Lake 6
Jiaxing 5
Montreal 5
Munich 5
Taizhou 5
Zhengzhou 5
Beijing 4
Falls Church 4
Kunming 4
Melbourne 4
Messina 4
Naples 4
Rio de Janeiro 4
Seattle 4
Tashkent 4
Washington 4
Brasília 3
Den Haag 3
Fortaleza 3
Los Angeles 3
Milan 3
Misterbianco 3
Phoenix 3
Pune 3
Quito 3
Rome 3
Salvador 3
Tappahannock 3
The Dalles 3
Campo Grande 2
Curitiba 2
Guayaquil 2
Imbituba 2
Itapevi 2
Jacareí 2
Lanzhou 2
Ludwigshafen 2
Nairobi 2
New York 2
Norwalk 2
Patos de Minas 2
Patti 2
Porto Alegre 2
Redmond 2
Ribeirão das Neves 2
Santo André 2
Sete Lagoas 2
Shanghai 2
Shenzhen 2
Sorocaba 2
São Vicente 2
Tallinn 2
Taormina 2
Tokyo 2
Adapazarı 1
Adrianópolis 1
Alagoinhas 1
Almaty 1
Amaxac de Guerrero 1
Amman 1
Amparo 1
Totale 3.568
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Nome #
1. High-field NMR spectroscopic techniques combined with molecular dynamics simulations for the study of the inclusion complexes of alpha- and beta-cyclodextrins with the cognition activator 3-phenoxypyridine sulfate (CI-844) 115
1. Force field parameters and molecular mechanics, molecular dynamics and quantum mechanical ab initio studies of 2,2,4,4,6,6-hexakis-(p-phenoxy-phenoxy-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-triene 114
1/Z expansion, correlation energy, and shannon entropy of heavy atoms in nonrelativistic limit 92
Bond-order, stretched chemical bonds and electron correlation 85
Molecular dynamics-modified-neglect-of-diatomic-overlap study of the thermal isomerization mechanism from cis to trans form in polyacetylene 80
Experimental and in silico characterization of a biologically active inosose 80
Equilibrium geometries of low-lying isomers of some Li clusters, within Hartree-Fock theory plus bond order or MP2 correlation corrections 79
CORRELATION-ENERGY OF DIATOMIC-MOLECULES VERSUS NUMBER OF ELECTRONS 78
An integrated X-ray and molecular dynamics study of uranyl-salen structures and properties 76
Molecular dynamics simulations of polyphosphazenes: Poly[bis(chloro)phosphazene][NPCl2](n) 75
ADPs simulations as an additional source of fine structural information 75
From molecules and clusters of atoms to solid state properties 74
Capture rate and efficiency of an oscillating non-ideal trap interacting with a sea of random diffusing particles. A non-equilibrium Fokker–Planck picture 74
Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach 73
Relation between molecular and atomic correlation energies via overlap population 73
False asymmetry, pseudosymmetry, disorder, polymorphism and atomic displacement parameters 73
Interfacial diffusion controlled reactions with time varying absorbing domains 72
Electron transport properties of calix[4]arene based systems in a metal-molecule-metal junction 72
Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Møller–Plesset perturbation theory 72
Scaling properties of correlation energies of homonuclear diatoms 70
High field NMR techniques, molecular modelling and molecular dynamics simulations in the study of the inclusion complex of the cognition activator (±)-1-(4-methoxybenzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with β-cyclodextrin 70
Fingerprints of antiaromaticity in the negative ion Li3Al4- with anab initio quantum chemical study of the equilibrium structure of the inhomogeneous electron liquid 70
Modeling vacancies and hydrogen impurities in graphene: A molecular point of view 69
Thermal effects on mixed metal (Zn/Al) layered double hydroxides: Direct modeling of the X-ray powder diffraction line shape through molecular dynamics simulations 69
A combined experimental and in silico characterization to highlight additional structural features and properties of a potentially new drug 69
Löwdin correlation energy density of the inhomogeneous electron liquid in some closed-shell molecules at equilibrium geometry 68
Potassium caffeate/caffeic acid co-crystal: the rat race between the catecholic and carboxylic moieties in an atypical co-crystal 68
“Dissociation energies in polyatomic molecules and metal clusters” 68
Study of cis-trans isomerization of polyacetylene induced by doping 68
Stretched chemical bonds in Si6H6: a transition from ring currents to localized pi-electrons? 67
Functional hybrid co-crystals of humic substances: a growth forecast 67
X-Ray crystallographic and computational study on uranyl–salophen complexes bearing nitro groups 67
Bond-Order Correlation Energy: a simple approach to obtain molecular dissociation energies and molecular heats of formation 67
Quantum mechanical studies of organometallic materials containing the Se-Te bond 66
Correlation energies in polyatomic molecules modelled in terms of bond order 65
Correlation energies, molucular dissociation energies, and heats of formation within the Bond-Order correlation approach 64
Simple Approaches to Calculate Correlation Energy in Polyatomic Molecular Systems 63
Quantum-chemical modelling of the structural change of water due to its interaction with nanographene 63
Modeling and Analysis of the X-ray Powder Diffraction Structure of gamma-Zirconium Phosphates Pillared with Butyl Chains through Molecular Dynamics Simulations 61
Self-organization by chiral recognition based on ad hoc chiral pockets in cyclotriphosphazenes with binaphthoxy and biphenoxy substituents: an X-ray, NMR and computational study 61
Derivation of force field parameters, and force field and quantum mechanical studies of layered alpha- and gamma-zirconium phosphates 60
Derivation of MM2 force-field parameters for polychlorophosphazenes (NPCl2)n from ab initio data 60
Structural Features and Molecular Assembly of Amorphous Phosphazenic Materials in the Bulk - Combined Theoretical and Experimental Techniques: Tris-(2,2-dioxy-1,1-binaphthyl)cyclotriphosphazene 60
Molecular Modeling and Large-Angle X-ray Scattering Studies of the Structure of Semicrystalline Poly[bis(phenoxy)phosphazene] 60
STUDY OF MIXED METAL (Cu/Zn/Al) LAYERED DOUBLE HYDROXIDES (LDHs) BY INTEGRATED X-RAY POWDER DIFFRACTION - MOLECULAR DYNAMICS (XRPD-MD) TECHNIQUE 60
Self-Organization by Chiral Recognition Based on ad hoc Chiral Pockets in Cyclotriphosphazenes with Binaphthxy and Biphenoxy Substituents: An X-ray, NMR and Computational Study 60
Discretization of unknown functions: A new method to solve partial differential equations with mixed boundary conditions 59
Derivation of force field parameters for 2,2,4,4,6,6-hexakis-(alkyloxy)- and -(aryloxy)-2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5-trienes 57
A novel integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD) approach for modelling mixed-metal (Zn, Al) layered double hydroxides (LDHs) 56
A novel approach for direct modelling of the XRPD spectrum using MD simulation technique: application to the study of calcinated Layer Double Hydroxides 56
Mesomeric and pi-moments in some hetero-conjugated compounds 56
Stereochemistry in solution of spiro-2,2'-dioxybiphenyl-cyclotriphosphazenes: an NMR spectroscopic study combined with molecular dynamics simulations 55
High Field NMR Techniques, Molecular Modelling and Molecular Dynamics Simulations in the Study of the Inclusion Complexes of the Cognition Activator (±)-1-(4-methoxy-benzoyl)-5-oxo-2-pyrrolidinepropanoic acid (CI-933) with β-Cyclodextrin 55
Crystal structure and molecular mechanics, dynamics and quantum-mechanical ab initio studies of 2,2,4,4,6,6-hexakis(p-phenoxyphenoxy)-25,45,65-cyclotriphosphaza-1,3,5-triene 55
NMR spectroscopic evidence and molecular dynamics studies on inclusion and non-inclusion phenomena between beta-cyclodextrin and new anti-Alzheimer's drugs tacrine (CI-970), velnacrine (HP-029) and suronacrine (HP-128) 55
A novel Integrated X-ray powder diffraction (XRPD) and molecular dynamics (MD)approach for modelling mixed-metal (Zn, Al)Layer Double Hydroxides (LDHs) 54
Structural, morphological, and modeling studies of N-(benzoyloxy)benzamide as a specific inhibitor of Type II inosine monophosphate dehydrogenase 52
A top-down approach to crystal engineering of a racemic Δ2-isoxazoline 52
Derivation of Force Field Parameters for 2,2,4,4,6,6,-Hexakis-(alkyloxy)- and -(aryloxy)- 2λ5,4λ5,6λ5-cyclotriphosphaza-1,3,5,-trienes 51
Electronic structure of clusters (LiBC)n: n=1, 2 and 4 50
Molecular Modeling of Interactions between L-Lysine and a Hydroxylated Quartz Surface 50
Experimental and theoretical characterization of N-(diethylcarbamothioyl)benzamide triclinic polymorph 50
Molecules in clusters: The case of planar LiBeBCNOF built from a triangular form LiOB and a linear four-center species FBeCN 50
The quantitative analysis of NOE in the rotatine frame: HR-NMR techniques combined with MD simulations in the case of the host-guest complexes with Cyclodextrins 48
MOLECULAR DYNAMICS (MD) AND POWDER X-RAY DIFFRACTION (XRD) COMBINED STUDY OF THE SOLID-STATE STRUCTURE OF LOW CRYSTALLINE MIXED-METAL (Cu, Zn, Al) LAYERED DOUBLE HYDROXYDES (LDHs) 48
Molecular Dynamics (MD) Simulations and Large-Angle X-ray Scattering (LAXS) Studies of the Solid-State Structure and Assembly of Isotactic (R)-Poly(2,2-dioxy-1,1-binaphthyl-)phosphazene in the Bulk State and in the Cast Film 46
Integrated X-ray Diffraction - Molecular Dynamics Study of Ternary (Cu/Zn/Al) Hydrotalcite-like Compounds containing two Different Interlayer Anions 45
Molecular Dynamics Simulations Combined with Large Angle X-ray Scattering Technique For the Determination of the Structure, Conformation, and Conformational Dynamics of Polyphosphazenes in Amorphous Phase: Study of Poly[di-(4-methylphenoxy)phosphazene] 45
Novel Integrated X-ray Diffraction and Molecular Dynamics Approaches for Structure Analysis 44
Integrated XRPD-MD Study of Thermal Effects on Mixed Metal (Cu/Zn/Al) Layered Double Hydroxides (LDHs), Precursors for the OSRM Reaction Catalysts 44
From the X-rays to a reliable "low cost" computational structure of caffeic acid: DFT, MP2, HF and integrated molecular dynamics-X-ray diffraction approach to condensed phases RID A-4921-2011 44
Tsallis q-exponentials as atomic orbitals in two-electron systems 43
THERMAL EFFECTS ON MIXED METAL (ZN/AL) LAYERED DOUBLE HYDROXIDES (LDHS): DIRECT MODELLING OF THE X-RAY POWDER DIFFRACTION (XRPD) LINE-SHAPE THROUGTH MOLECULAR DYNAMICS (MD) SIMULATIONS 42
First Principle study of impurities in graphene: HF. DFT, and MP2 methods comparison 42
Wrapping and unwrapping an indicaxanthin molecule: A computational approach 40
Elucidation of the Chiral Recognition Mechanism of Cinchona Alkaloid Carbamate-type Receptors for 3,5-Dinitrobenzoyl Amino Acids 39
Tecniche Spettroscopiche NMR ad Alto Campo e di Simulazione Dinamica Applicate allo Studio di Complessi di Inclusione con Ciclodestrine 36
A Potentially Alternative Route to Predict Crystal Morphologies of Indicaxanthin Crystals 35
Anomalous sorption kinetics of self-interacting particles by a spherical trap 25
Force field and quantum mechanical study of 3-aminopropyltriethoxy silane sorption on hydroxyl free yttria surface 25
Totale 4.896
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Categoria #
all - tutte 16.953
article - articoli 0
book - libri 0
conference - conferenze 0
curatela - curatele 0
other - altro 0
patent - brevetti 0
selected - selezionate 0
volume - volumi 0
Totale 16.953
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Totale Lug Ago Sett Ott Nov Dic Gen Feb Mar Apr Mag Giu
2019/202071 0 0 0 0 0 0 0 0 0 0 52 19
2020/2021560 0 41 76 2 122 12 68 0 62 0 71 106
2021/2022622 72 76 3 23 106 3 80 13 60 0 8 178
2022/2023963 84 51 10 125 101 173 3 154 220 6 22 14
2023/2024462 31 46 13 32 13 90 0 25 1 91 72 48
2024/20251.618 35 423 85 50 433 198 98 81 80 134 1 0
Totale 4.896